Chemical ID: 7447771

CC1(Cc2c3c(=O)[nH]c(nc3sc2C(=O)C1)C(F)(F)F)C
Chemical ID:
7447771
Name [?]:
None
SMILES [?]:
CC1(Cc2c3c(=O)[nH]c(nc3sc2C(=O)C1)C(F)(F)F)C
InChi [?]:
InChI=1/C13H11F3N2O2S/c1-12(2)3-5-7-9(20)17-11(13(14,15)16)18-10(7)21-8(5)6(19)4-12/h3-4H2,1-2H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,3,16,4,14,5,13,6,11,9,2,17,18,19,20,8,10,15,7,12/E:(1,2)(14,15,16)/rA:21nCCCCCCONCNCSCCOCCFFFC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;d5s10;s11;d4s12;s13;d14;s2s14;s9;s17;s17;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11F3N2O2S
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.62546
Area:435.678
Solvation:-3.26648
Coulombic:-53.8772
Bond Count [?]
All:23
Single:18
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:316.3
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.48
LogP (Chemaxon):2.52

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Descriptor Annotations

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